An exploration of corrosion inhibition of mild steel in sulphuric acid solution through experimental study and Monte Carlo simulations |
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Authors: | Aziz Boutouil Ilhame Elazhary Hicham Ben El Ayouchia Hafid Anane Mohammadine El Haddad |
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Affiliation: | Faculté Polydisciplinaire, Laboratoire de Chimie Analytique et Moléculaire/LCAM, Université Cadi Ayyad, Safi, Morrocco |
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Abstract: | Abstract4-4-(1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl]methylbenzophenone (ITBP) and 44-(1H-1,2,4-triazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl]methylbenzophenone (TTBP) are synthesized as new heterocyclic compounds of the triazole derivative family and tested successfully as potential inhibitors for MS in 1?M H2SO4 corrosive medium by using gravimetric analysis, electrochemical impedance spectroscopy, potentiodynamic polarization, and energy dispersive X-ray spectroscopy (EDX). Polarization curves show that the tested inhibitors are mixed-type inhibitors. Scanning electron microscopy (SEM) affirmed the existence of an adsorbed film on the steel surface. Monte Carlo simulations were in excellent agreement with the experimental tests. Abbreviation: PDP: Potentiodynamic Polarization; EIS: Electrochemical impedance spectroscopy; DFT: Density functional theory; MC: Monte Carlo |
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Keywords: | MS corrosion inhibition triazole DFT Monte Carlo simulations |
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